Hopane-3Beta,22-Diol

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Catalog Number ACM22149651
CAS 22149-65-1
IUPAC Name (3S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol
Molecular Weight 444.7
Molecular Formula C30H52O2
Canonical SMILES CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC5C4(CCC5C(C)(C)O)C)C)C)C
Inchi InChI=1S/C30H52O2/c1-25(2)21-13-18-30(8)23(28(21,6)16-14-24(25)31)10-9-22-27(5)15-11-19(26(3,4)32)20(27)12-17-29(22,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,24-,27-,28-,29+,30+/m0/s1
InChIKey FNUXMEOWJVTJJE-DTXRQUTOSA-N
Purity 98%
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